1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane

C21H40 — CID 90945654

IUPAC1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane
SMILESCCC1CCCC1C(C)CC1CCCCC(C)(CC)CC1
InChIInChI=1S/C21H40/c1-5-19-11-9-12-20(19)17(3)16-18-10-7-8-14-21(4,6-2)15-13-18/h17-20H,5-16H2,1-4H3
InChIKeyQQLVCCMFUYFOCZ-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.23
Rot. Bonds5

About 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane

1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane (PubChem CID 90945654) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane.

Molecular Properties

Compound Name1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane
PubChem CID90945654
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane
SMILESCCC1CCCC1C(C)CC1CCCCC(C)(CC)CC1
InChIInChI=1S/C21H40/c1-5-19-11-9-12-20(19)17(3)16-18-10-7-8-14-21(4,6-2)15-13-18/h17-20H,5-16H2,1-4H3
InChIKeyQQLVCCMFUYFOCZ-UHFFFAOYSA-N
XLogP7.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane?
The IUPAC name of 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane (CID 90945654) is 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane.
What is the SMILES notation for 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane?
The canonical SMILES for 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane is CCC1CCCC1C(C)CC1CCCCC(C)(CC)CC1.
What is the InChIKey of 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane?
The InChIKey is QQLVCCMFUYFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-5-19-11-9-12-20(19)17(3)16-18-10-7-8-14-21(4,6-2)15-13-18/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane?
1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane has a molecular weight of 292.55 g/mol, XLogP of 7.23, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(2-ethylcyclopentyl)propyl]-1-methylcyclooctane is sourced from PubChem (CID 90945654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).